3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane

C15H28O4 — CID 23541443

IUPAC3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane
SMILESCCC1(CCCC2(CC)COC2OC)COC1OC
InChIInChI=1S/C15H28O4/c1-5-14(10-18-12(14)16-3)8-7-9-15(6-2)11-19-13(15)17-4/h12-13H,5-11H2,1-4H3
InChIKeyBWMRHWHTCWLYKA-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.95
Rot. Bonds8

About 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane

3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane (PubChem CID 23541443) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane.

Molecular Properties

Compound Name3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane
PubChem CID23541443
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane
SMILESCCC1(CCCC2(CC)COC2OC)COC1OC
InChIInChI=1S/C15H28O4/c1-5-14(10-18-12(14)16-3)8-7-9-15(6-2)11-19-13(15)17-4/h12-13H,5-11H2,1-4H3
InChIKeyBWMRHWHTCWLYKA-UHFFFAOYSA-N
XLogP2.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane?
The IUPAC name of 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane (CID 23541443) is 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane.
What is the SMILES notation for 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane?
The canonical SMILES for 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane is CCC1(CCCC2(CC)COC2OC)COC1OC.
What is the InChIKey of 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane?
The InChIKey is BWMRHWHTCWLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-14(10-18-12(14)16-3)8-7-9-15(6-2)11-19-13(15)17-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane?
3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane has a molecular weight of 272.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-(3-ethyl-2-methoxyoxetan-3-yl)propyl]-2-methoxyoxetane is sourced from PubChem (CID 23541443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).